SCHEMBL10827293

SCHEMBL10827293

Clc1cccc([I+]c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.41
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31519530 0.93 ALDH1A1 (0.46) TSHRALDH1A1MAPTMEN1LMNA
SCHEMBL838588 0.93 ALDH1A1 (0.46) TSHRALDH1A1MAPTMEN1LMNA
SCHEMBL2898174 0.84 ALDH1A1 (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL92061 0.78 LMNA (0.40) TSHRNPC1RAB9AMEN1LMNA
SCHEMBL426376 0.77 TSHR (0.53) TSHRALDH1A1SLC6A3RAB9AMAPT
SCHEMBL36560 0.76 ALDH1A1 (0.40) TSHRALDH1A1SLC6A3LMNAHTR2C
Iodide SCHEMBL7898647 0.75 TSHR (0.50) TSHRALDH1A1SLC6A3RAB9AMAPT
Hydrochloric Acid SCHEMBL11777482 0.75 TSHR (0.50) TSHRALDH1A1SLC6A3RAB9AMAPT
SCHEMBL425916 0.74 TSHR (0.39) TSHRSLC6A3NPC1RAB9ALMNA
Chlorobenzene SCHEMBL11493758 0.73 TSHR (0.73) TSHRALDH1A1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119067-B1 PROCESS FOR PREPARING ALDEHYDES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-11-26 EP disclosed
US-4607116-A FROM DIARYLIODONIUM SALT NIPPON PETROCHEMICALS COMPANY LIMITED (JP) 1986-08-19 US disclosed
EP-0119065-B1 PROCESS FOR PREPARING DIARYLS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-08-13 EP disclosed
US-4590281-A REACTING DIARYLIODONIUM SALT WITH UNSATURATED ALCOHOL NIPPON PETROCHEMICALS COMPANY (JP) 1986-05-20 US disclosed
EP-0119065-A1 Process for preparing diaryls NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-09-19 EP disclosed
EP-0119067-A1 Process for preparing aldehydes NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-09-19 EP disclosed